4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C19H17N7O2 — CID 47057831

IUPAC4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCn1ccnc1COc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H17N7O2/c1-26-11-10-21-16(26)12-28-14-7-5-13(6-8-14)18(27)23-19-22-17(24-25-19)15-4-2-3-9-20-15/h2-11H,12H2,1H3,(H2,22,23,24,25,27)
InChIKeyLLURPUPYWWSBBP-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.43
Rot. Bonds6

About 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 47057831) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID47057831
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCn1ccnc1COc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H17N7O2/c1-26-11-10-21-16(26)12-28-14-7-5-13(6-8-14)18(27)23-19-22-17(24-25-19)15-4-2-3-9-20-15/h2-11H,12H2,1H3,(H2,22,23,24,25,27)
InChIKeyLLURPUPYWWSBBP-UHFFFAOYSA-N
XLogP2.43
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide with MolForge

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Related Compounds

N-[5-(1,5-dimethylimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25181471
N-(5-(1H-imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 25253556
N-[2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67374618
Hedgehog IN-2
CID 67374621
N-[5-(1H-imidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67379186
N-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68780878
Smo-IN-1
CID 70684298
N-[2-methyl-5-(4-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70690618
N-[5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70682196
4-[[4-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 60162574
N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68780150
CID 70688555
CID 70688555

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 47057831) is 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is Cn1ccnc1COc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LLURPUPYWWSBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-26-11-10-21-16(26)12-28-14-7-5-13(6-8-14)18(27)23-19-22-17(24-25-19)15-4-2-3-9-20-15/h2-11H,12H2,1H3,(H2,22,23,24,25,27).
What are the key properties of 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 375.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 47057831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).